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Title: Competing magnetic instabilities in the weak itinerant antiferromagnetic TiAu

Journal Article · · Physical Review B
 [1];  [1]
  1. Univ. of California, Davis, CA (United States). Dept. of Physics
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The binary intermetallic compound TiAu is distinguished by an extremely sharp and narrow density of states peak at the Fermi level that has been proposed, via scattering between mirrored van Hove singularities, to be the mechanism for antiferromagnetic ordering versus the more fundamental ferromagnetic Stoner instability. Here we study, using density functional theory methods, magnetic tendencies and effects of doping, the latter within the virtual crystal approximation (VCA). Ferromagnetic tendencies are quantified using the fixed spin moment approach, illustrating the strong Stoner instability that does not, however, provide the ground state. Use of VCA results allows the identification of the value of the Stoner exchange constant I = 0.74eV for Ti. Magnetic fluctuations not included with semilocal density functionals are quantified with the procedure provided by Ortenzi and coauthors, with alloy concentrations corresponding to the quantum critical points reduced by a factor of three to five. Furthermore, our results provide useful guidelines for experimental doping studies of TiAu.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1544392
Alternate ID(s):
OSTI ID: 1357311
Journal Information:
Physical Review B, Vol. 95, Issue 20; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 8 works
Citation information provided by
Web of Science

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Cited By (3)

Effects of chemical disorder in the itinerant antiferromagnet Ti 1− x V x Au journal August 2018
Relation between the weak itinerant magnetism in A 2 Ni 7 compounds ( A   =  Y, La) and their stacked crystal structures journal January 2020
Relation between the weak itinerant magnetism in $A_2$Ni$_7$ compounds ($A$ = Y, La) and their stacked crystal structures text January 2019

Figures / Tables (6)

FIG. 1(p. 1)figure FIG. 1
FIG. 2(p. 3)figure FIG. 2
FIG. 3(p. 5)figure FIG. 3
FIG. 4(p. 5)figure FIG. 4
FIG. 5(p. 6)figure FIG. 5
FIG. 6(p. 6)figure FIG. 6

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Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS